2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine

• ChemBase ID: 522588
• Molecular Formular: C24H20N4O
• Molecular Mass: 380.4418
• Monoisotopic Mass: 380.16371128
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)c1ncccc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)c1ccccn1
• InChI: InChI=1S/C24H20N4O/c29-24(22-8-4-5-14-25-22)28-15-13-21-20(16-28)23(27-26-21)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-12,14H,13,15-16H2,(H,26,27)
• InChIKey: NNVFQXGATMMCRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 2-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
• Synonyms: 3-biphenyl-4-yl-5-(pyridin-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Log P: 3.8795624
• Molar Refractivity: 113.8988 cm^3
• Polarizability: 45.44507 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.06469
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8794546
• LogD (pH = 7.4): 3.879561

供应商提供(Chembridge)

• Log P: 3.1
• LOG S: -4.62
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 1